4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline

C11H7BrF9N — CID 11327142

IUPAC4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)CN(CC(F)(F)F)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H7BrF9N/c12-8-2-1-6(3-7(8)11(19,20)21)22(4-9(13,14)15)5-10(16,17)18/h1-3H,4-5H2
InChIKeyIPKMVOJFFBKQIL-UHFFFAOYSA-N
MW404.07 g/mol
LogP5.40
Rot. Bonds3

About 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline

4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline (PubChem CID 11327142) has the molecular formula C11H7BrF9N and a molecular weight of 404.07 g/mol. Its IUPAC name is 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
PubChem CID11327142
Molecular FormulaC11H7BrF9N
Molecular Weight404.07 g/mol
Exact Mass402.96
IUPAC Name4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)CN(CC(F)(F)F)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H7BrF9N/c12-8-2-1-6(3-7(8)11(19,20)21)22(4-9(13,14)15)5-10(16,17)18/h1-3H,4-5H2
InChIKeyIPKMVOJFFBKQIL-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.07
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-N,N,3-trimethylaniline
CID 12385715
4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
CID 688191
4-Bromo-N,N,3,5-tetramethylaniline
CID 44629944
4-bromo-N,3-dimethylaniline hydrochloride
CID 137949423
3-(4-Bromo-3-trifluoromethylphenylazo)-1-methyl-1,4,5,6-tetrahydropyridine
CID 44579097
2-(4-Bromo-3-trifluoromethylphenylazo)methylene-1-methylpyrrolidine
CID 44579198
1-(4-Bromo-3-trifluoromethylphenylazo)-3,4,6,7,8,9-hexahydro-2H-quinolizine
CID 44579701
4-Bromo-n,3-dimethylaniline
CID 21886573
N,N-Diallyl-3-(trifluoromethyl)aniline
CID 10999154
4-bromo-N-methyl-N-(trifluoromethyl)aniline
CID 71646907
N-Methyl-N-(trifluoromethyl)-2-fluoro-4-bromobenzenamine
CID 100993577
4-bromo-N-propyl-N-(trifluoromethyl)aniline
CID 139670659

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline (CID 11327142) is 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline is FC(F)(F)CN(CC(F)(F)F)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline?
The InChIKey is IPKMVOJFFBKQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF9N/c12-8-2-1-6(3-7(8)11(19,20)21)22(4-9(13,14)15)5-10(16,17)18/h1-3H,4-5H2.
What are the key properties of 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline?
4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline has a molecular weight of 404.07 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 11327142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).